Acetic Acid → Chloride

HRID 1114863Notes

Reaction equation

HRID 1114863 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[Cl-:1].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30]1.[NH2:2][n+:3]1[c:4]([CH3:19])[n:5]([N:8]=[CH:9][c:10]2[cH:11][cH:12][c:13]([N:16]([CH3:17])[CH3:18])[cH:14][cH:15]2)[cH:6][cH:7]1>>[Cl-:1].[N:2]([n:3]1[c:4]([CH3:19])[n+:5]([N:8]=[CH:9][c:10]2[cH:11][cH:12][c:13]([N:16]([CH3:17])[CH3:18])[cH:14][cH:15]2)[cH:6][cH:7]1)=[CH:27][c:26]1[cH:25][cH:24][c:23]([N+:20](=[O:21])[O-:22])[cH:30][cH:29]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 312ChlorideHCID 5414-NitrobenzaldehydeHCID 54276314HCID 54276314, compound

Product 2

HCID 312ChlorideHCID 178433954HCID 178433954, compound

Sources & evidence

ORD record
ord-faf7392b9d524eb789ef5793133ea918
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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